N-(3-amino-4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride

C16H24ClN3O3S — CID 119420453

IUPACN-(3-amino-4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
SMILESCOc1ccc(NC(=O)CSCC(=O)N2CCCCC2)cc1N.Cl
InChIInChI=1S/C16H23N3O3S.ClH/c1-22-14-6-5-12(9-13(14)17)18-15(20)10-23-11-16(21)19-7-3-2-4-8-19;/h5-6,9H,2-4,7-8,10-11,17H2,1H3,(H,18,20);1H
InChIKeyJBZUMVGBORJEGF-UHFFFAOYSA-N
MW373.91 g/mol
LogP2.38
Rot. Bonds6

About N-(3-amino-4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride

N-(3-amino-4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride (PubChem CID 119420453) has the molecular formula C16H24ClN3O3S and a molecular weight of 373.91 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
PubChem CID119420453
Molecular FormulaC16H24ClN3O3S
Molecular Weight373.91 g/mol
Exact Mass373.12
IUPAC NameN-(3-amino-4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
SMILESCOc1ccc(NC(=O)CSCC(=O)N2CCCCC2)cc1N.Cl
InChIInChI=1S/C16H23N3O3S.ClH/c1-22-14-6-5-12(9-13(14)17)18-15(20)10-23-11-16(21)19-7-3-2-4-8-19;/h5-6,9H,2-4,7-8,10-11,17H2,1H3,(H,18,20);1H
InChIKeyJBZUMVGBORJEGF-UHFFFAOYSA-N
XLogP2.38
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-methoxyphenyl)-2-(oxan-2-ylmethylsulfanyl)acetamide;hydrochloride
CID 119420081
N-(3-chloro-4-methoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942046
N-(3-amino-4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 119419829
N-(3-amino-4-methoxyphenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 67315900
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
1-[2-(3-amino-4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 82026204
N-(3-amino-4-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 119420214
N-(3-amino-4-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 119419850
N-(3-amino-4-methoxyphenyl)-1-propanoylpiperidine-2-carboxamide;hydrochloride
CID 119418982
N-(3-amino-4-methoxyphenyl)-2-(diethylamino)acetamide;dihydrochloride
CID 119419045
2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9458010
N-(3-amino-4-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119419131

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride (CID 119420453) is N-(3-amino-4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride is COc1ccc(NC(=O)CSCC(=O)N2CCCCC2)cc1N.Cl.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride?
The InChIKey is JBZUMVGBORJEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S.ClH/c1-22-14-6-5-12(9-13(14)17)18-15(20)10-23-11-16(21)19-7-3-2-4-8-19;/h5-6,9H,2-4,7-8,10-11,17H2,1H3,(H,18,20);1H.
What are the key properties of N-(3-amino-4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride?
N-(3-amino-4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride has a molecular weight of 373.91 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride is sourced from PubChem (CID 119420453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).